Crystallography Open Database

Information card for entry 4022994

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Structure parameters

Formula	C38 H32 N4 O5
Calculated formula	C38 H32 N4 O5
SMILES	O=n1ccccc1C(O)C(=O)N(c1ccccc1)c1ccccc1.O=n1ccccc1CC(=O)N(c1ccccc1)c1ccccc1
Title of publication	Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides
Authors of publication	Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	9195 - 9202
a	6.107 ± 0.0003 Å
b	16.1821 ± 0.0008 Å
c	15.2318 ± 0.0007 Å
α	90°
β	92.612 ± 0.002°
γ	90°
Cell volume	1503.7 ± 0.13 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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